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

Systemtic Name: methyl 4-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)carbamoyl]benzoate CAS Name: 4-[[[3-carbamoyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]benzoate Traditional Name: 4-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)carbamoyl]benzoic acid methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-13-17(12-14-6-4-3-5-7-14)29-21(18(13)19(23)25)24-20(26)15-8-10-16(11-9-15)22(27)28-2/h3-11H,12H2,1-2H3,(H2,23,25)(H,24,26)