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

Systemtic Name: S-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-pyridinylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-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=CC=CC=N1)C2=NC3=C(S2)C=CC(=C3)OC

Isomeric SMILES

CC(=O)SCC(=O)N(CC1=CC=CC=N1)C2=NC3=C(S2)C=CC(=C3)OC

InChI

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