5-chloranyl-3-[2-[(3-methyl-2-sulfanyl-phenyl)amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-[(3-methyl-2-sulfanyl-phenyl)amino]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-(3-methyl-2-sulfanyl-anilino)-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-(2-mercapto-3-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-(3-methyl-2-sulfanylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-keto-2-(2-mercapto-3-methyl-anilino)ethyl]-1H-indole-2-carboxylic acid Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)S

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O)S

InChI

InChI=1S/C18H15ClN2O3S/c1-9-3-2-4-14(17(9)25)20-15(22)8-12-11-7-10(19)5-6-13(11)21-16(12)18(23)24/h2-7,21,25H,8H2,1H3,(H,20,22)(H,23,24)