(phenylmethyl) 3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate Openeye Name: benzyl 3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylate CAS Name: 3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indole-1-carboxylate Traditional Name: 3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylic acid benzyl ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSN1C2=CN=CC=C2)C(=O)C3=CN(C4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C(CSN1C2=CN=CC=C2)C(=O)C3=CN(C4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3S/c29-24(19-14-28(32-17-19)20-9-6-12-26-13-20)22-15-27(23-11-5-4-10-21(22)23)25(30)31-16-18-7-2-1-3-8-18/h1-13,15,19H,14,16-17H2