3-ethylsulfanyl-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 3-ethylsulfanyl-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 3-ethylsulfanyl-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 3-(ethylthio)-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 3-ethylsulfanyl-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 3-(ethylthio)-N-[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide Formula: C20H22N2O4S3 MolecularWeight: 450.59468

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCOC

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCOC

InChI

InChI=1S/C20H22N2O4S3/c1-4-27-15-7-5-6-14(12-15)19(23)21-20-22(10-11-26-2)17-9-8-16(29(3,24)25)13-18(17)28-20/h5-9,12-13H,4,10-11H2,1-3H3