(1S,6R)-6-[[3-(cyclopropylcarbamoyl)-4-phenyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[[3-(cyclopropylcarbamoyl)-4-phenyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[3-(cyclopropylcarbamoyl)-4-phenyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[[3-[(cyclopropylamino)-oxomethyl]-4-phenyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[[3-(cyclopropylcarbamoyl)-4-phenylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[[3-(cyclopropylcarbamoyl)-4-phenyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

C1CC1NC(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)[C@@H]4CC=CC[C@@H]4C(=O)O

InChI

InChI=1S/C22H22N2O4S/c25-19(15-8-4-5-9-16(15)22(27)28)24-21-18(20(26)23-14-10-11-14)17(12-29-21)13-6-2-1-3-7-13/h1-7,12,14-16H,8-11H2,(H,23,26)(H,24,25)(H,27,28)/t15-,16+/m1/s1