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

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-5-(1H-indol-5-yl)thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-(1H-indol-5-yl)thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]-5-(1H-indol-5-yl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]-5-(1H-indol-5-yl)thiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-(1H-indol-5-yl)-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=CC3=C(C=C2)NC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC3=C(C=C2)NC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

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