S-[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-keto-ethyl] ester Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CSC(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CSC(=O)C)C

InChI

InChI=1S/C19H19N3O2S2/c1-12-6-7-16-18(13(12)2)21-19(26-16)22(17(24)11-25-14(3)23)10-15-5-4-8-20-9-15/h4-9H,10-11H2,1-3H3