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

Systemtic Name: S-[2-[1,3-benzothiazol-2-yl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[1,3-benzothiazol-2-yl(benzyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[1,3-benzothiazol-2-yl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[1,3-benzothiazol-2-yl(benzyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1,3-benzothiazol-2-yl(benzyl)amino]-2-keto-ethyl] ester Formula: C18H16N2O2S2 MolecularWeight: 356.46184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2S2/c1-13(21)23-12-17(22)20(11-14-7-3-2-4-8-14)18-19-15-9-5-6-10-16(15)24-18/h2-10H,11-12H2,1H3