N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]pent-4-enamide

Systemtic Name: N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]pent-4-enamide Openeye Name: N-[2-[2-cyanoethoxy-(diisopropylamino)phosphanyl]oxyethyl]-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]pent-4-enamide CAS Name: N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphino]oxyethyl]-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4-pentenamide IUPAC Name: N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]pent-4-enamide Traditional Name: N-[2-[2-cyanoethoxy-(diisopropylamino)phosphino]oxyethyl]-5-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-4-[(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]pent-4-enamide Formula: C35H47N5O3PS2+ MolecularWeight: 680.883141

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CC)CCC(=O)NCCOP(N(C(C)C)C(C)C)OCCC#N

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CC)CCC(=O)NCCOP(N(C(C)C)C(C)C)OCCC#N

InChI

InChI=1S/C35H46N5O3PS2/c1-7-38-29-14-9-11-16-31(29)45-34(38)24-28(25-35-39(8-2)30-15-10-12-17-32(30)46-35)18-19-33(41)37-21-23-43-44(42-22-13-20-36)40(26(3)4)27(5)6/h9-12,14-17,24-27H,7-8,13,18-19,21-23H2,1-6H3/p+1