8-[[3-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-(2-indolin-1-yl-2-oxo-ethyl)sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[(2-indolin-1-yl-2-keto-ethyl)thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H22N2O4S MolecularWeight: 482.55028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C28H22N2O4S/c31-25(30-15-14-18-6-1-2-13-24(18)30)17-35-21-10-5-9-20(16-21)29-27(32)22-11-3-7-19-8-4-12-23(26(19)22)28(33)34/h1-13,16H,14-15,17H2,(H,29,32)(H,33,34)