1-[(3,4-dichlorophenyl)methyl]-3-(2-thiophen-2-ylethanoylamino)indole-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-3-(2-thiophen-2-ylethanoylamino)indole-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-3-[[2-(2-thienyl)acetyl]amino]indole-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-indolecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-3-[(2-thiophen-2-ylacetyl)amino]indole-2-carboxylic acid Traditional Name: 1-(3,4-dichlorobenzyl)-3-[[2-(2-thienyl)acetyl]amino]indole-2-carboxylic acid Formula: C22H16Cl2N2O3S MolecularWeight: 459.34504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)NC(=O)CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C22H16Cl2N2O3S/c23-16-8-7-13(10-17(16)24)12-26-18-6-2-1-5-15(18)20(21(26)22(28)29)25-19(27)11-14-4-3-9-30-14/h1-10H,11-12H2,(H,25,27)(H,28,29)