2-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)carbamoyl]benzoic acid CAS Name: 2-[[[3-carbamoyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)carbamoyl]benzoic acid Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=CC=C2C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=CC=C2C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4S/c1-12-16(11-13-7-3-2-4-8-13)28-20(17(12)18(22)24)23-19(25)14-9-5-6-10-15(14)21(26)27/h2-10H,11H2,1H3,(H2,22,24)(H,23,25)(H,26,27)