6-[(3-aminocarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[(3-aminocarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[(3-carbamoyl-5-methyl-4-phenyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[(3-carbamoyl-5-methyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3-carbamoyl-5-methyl-4-phenyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S/c1-11-15(12-7-3-2-4-8-12)16(17(21)23)19(27-11)22-18(24)13-9-5-6-10-14(13)20(25)26/h2-8,13-14H,9-10H2,1H3,(H2,21,23)(H,22,24)(H,25,26)