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

Systemtic Name: S-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(4-methoxy-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]ethyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c1-12(22)25-11-16(23)21(10-13-5-4-8-19-9-13)18-20-17-14(24-2)6-3-7-15(17)26-18/h3-9H,10-11H2,1-2H3