S-[2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[benzyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[benzyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[benzyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N(CC1=CC=CC=C1)C2=NC3=C(C=CC(=C3S2)OC)OC

Isomeric SMILES

CC(=O)SCC(=O)N(CC1=CC=CC=C1)C2=NC3=C(C=CC(=C3S2)OC)OC

InChI

InChI=1S/C20H20N2O4S2/c1-13(23)27-12-17(24)22(11-14-7-5-4-6-8-14)20-21-18-15(25-2)9-10-16(26-3)19(18)28-20/h4-10H,11-12H2,1-3H3