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

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-propan-2-yl-amino]-5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-thiazol-2-yl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-propan-2-ylamino]-5-(2-thiazolyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]-5-(1,3-thiazol-2-yl)thiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-isopropyl-amino]-5-thiazol-2-yl-2-thenoic acid Formula: C18H14Cl2N2O3S2 MolecularWeight: 441.35136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=NC=CS2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=NC=CS2)C(=O)O)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O3S2/c1-9(2)22(17(23)11-4-3-10(19)7-12(11)20)13-8-14(16-21-5-6-26-16)27-15(13)18(24)25/h3-9H,1-2H3,(H,24,25)