[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-3-(phenylmethylsulfanyl)propanoate Openeye Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-benzamido-3-benzylsulfanyl-propanoate CAS Name: 2-benzamido-3-(phenylmethylthio)propanoic acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-benzamido-3-benzylsulfanylpropanoate Traditional Name: 2-benzamido-3-(benzylthio)propionic acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C28H27N3O5S2 MolecularWeight: 549.66108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C(CSCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C(CSCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O5S2/c1-2-35-21-13-14-22-24(15-21)38-28(30-22)31-25(32)16-36-27(34)23(18-37-17-19-9-5-3-6-10-19)29-26(33)20-11-7-4-8-12-20/h3-15,23H,2,16-18H2,1H3,(H,29,33)(H,30,31,32)