ethyl 2-[3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indol-1-yl]ethanoate Openeye Name: ethyl 2-[3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indol-1-yl]acetate CAS Name: 2-[3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indol-1-yl]acetate Traditional Name: 2-[3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indol-1-yl]acetic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3CN(SC3)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)CN1C=C(C2=CC=CC=C21)C(=O)C3CN(SC3)C4=CN=CC=C4

InChI

InChI=1S/C21H21N3O3S/c1-2-27-20(25)13-23-12-18(17-7-3-4-8-19(17)23)21(26)15-11-24(28-14-15)16-6-5-9-22-10-16/h3-10,12,15H,2,11,13-14H2,1H3