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

Systemtic Name: S-[2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-keto-ethyl] ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CSC(=O)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CSC(=O)C

InChI

InChI=1S/C19H19N3O3S2/c1-3-25-15-7-4-8-16-18(15)21-19(27-16)22(17(24)12-26-13(2)23)11-14-6-5-9-20-10-14/h4-10H,3,11-12H2,1-2H3