S-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[benzyl-(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[benzyl-(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[benzyl-(6-methyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C19H18N2O2S2 MolecularWeight: 370.48842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CSC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CSC(=O)C

InChI

InChI=1S/C19H18N2O2S2/c1-13-8-9-16-17(10-13)25-19(20-16)21(18(23)12-24-14(2)22)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3