4-(4-chlorophenyl)-3-[(5-methylfuran-2-yl)methylcarbamoylamino]thiophene-2-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)-3-[(5-methylfuran-2-yl)methylcarbamoylamino]thiophene-2-carboxylic acid Openeye Name: 4-(4-chlorophenyl)-3-[(5-methyl-2-furyl)methylcarbamoylamino]thiophene-2-carboxylic acid CAS Name: 4-(4-chlorophenyl)-3-[[[(5-methyl-2-furanyl)methylamino]-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-3-[(5-methylfuran-2-yl)methylcarbamoylamino]thiophene-2-carboxylic acid Traditional Name: 4-(4-chlorophenyl)-3-[(5-methyl-2-furyl)methylcarbamoylamino]-2-thenoic acid Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)NC2=C(SC=C2C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)NC2=C(SC=C2C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H15ClN2O4S/c1-10-2-7-13(25-10)8-20-18(24)21-15-14(9-26-16(15)17(22)23)11-3-5-12(19)6-4-11/h2-7,9H,8H2,1H3,(H,22,23)(H2,20,21,24)