S-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]ethyl] ester Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CSC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CSC(=O)C

InChI

InChI=1S/C18H17N3O2S2/c1-12-5-6-15-16(8-12)25-18(20-15)21(17(23)11-24-13(2)22)10-14-4-3-7-19-9-14/h3-9H,10-11H2,1-2H3