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

Systemtic Name: 2-[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[(5-benzyl-3-methoxycarbonyl-4-methyl-2-thienyl)carbamoyl]benzoic acid CAS Name: 2-[[[3-methoxycarbonyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(5-benzyl-3-methoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[(5-benzyl-3-carbomethoxy-4-methyl-2-thienyl)carbamoyl]benzoic acid Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO5S/c1-13-17(12-14-8-4-3-5-9-14)29-20(18(13)22(27)28-2)23-19(24)15-10-6-7-11-16(15)21(25)26/h3-11H,12H2,1-2H3,(H,23,24)(H,25,26)