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

Systemtic Name: S-[2-oxidanylidene-2-[(4-propan-2-yl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[(4-isopropyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-oxo-2-[(4-propan-2-yl-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]ethyl] ester IUPAC Name: S-[2-oxo-2-[(4-propan-2-yl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-isopropyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-keto-ethyl] ester Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S2/c1-13(2)16-7-4-8-17-19(16)22-20(27-17)23(18(25)12-26-14(3)24)11-15-6-5-9-21-10-15/h4-10,13H,11-12H2,1-3H3