1H-inden-1-yl 3-(2-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: 1H-inden-1-yl 3-(2-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: 1H-inden-1-yl 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[(2-acetamidoethylthio)methyl]-4-oxo-4-(3-pyridinyl)butanoic acid 1H-inden-1-yl ester IUPAC Name: 1H-inden-1-yl 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[(2-acetamidoethylthio)methyl]-4-keto-4-(3-pyridyl)butyric acid 1H-inden-1-yl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSCC(CC(=O)OC1C=CC2=CC=CC=C12)C(=O)C3=CN=CC=C3

Isomeric SMILES

CC(=O)NCCSCC(CC(=O)OC1C=CC2=CC=CC=C12)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H24N2O4S/c1-16(26)25-11-12-30-15-19(23(28)18-6-4-10-24-14-18)13-22(27)29-21-9-8-17-5-2-3-7-20(17)21/h2-10,14,19,21H,11-13,15H2,1H3,(H,25,26)