3-[[4,6-bis(chloranyl)-1H-indol-2-yl]carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[4,6-bis(chloranyl)-1H-indol-2-yl]carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4,6-dichloro-1H-indole-2-carbonyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4,6-dichloro-1H-indol-2-yl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4,6-dichloro-1H-indole-2-carbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(4,6-dichloro-1H-indole-2-carbonyl)-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C23H18Cl2N2O3S MolecularWeight: 473.37162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CC4=C(C=C(C=C4N3)Cl)Cl

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CC4=C(C=C(C=C4N3)Cl)Cl

InChI

InChI=1S/C23H18Cl2N2O3S/c1-12(2)27(22(28)18-10-15-16(25)8-14(24)9-17(15)26-18)19-11-20(31-21(19)23(29)30)13-6-4-3-5-7-13/h3-12,26H,1-2H3,(H,29,30)