S-[2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(pyridin-4-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(pyridin-4-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-pyridylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(pyridin-4-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(pyridin-4-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-pyridylmethyl)amino]-2-keto-ethyl] ester Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S2/c1-11(23)26-10-15(24)22(9-12-5-7-20-8-6-12)18-21-16-14(25-2)4-3-13(19)17(16)27-18/h3-8H,9-10H2,1-2H3