(1R,6S)-6-[[3-aminocarbonyl-4-(3,4-dimethylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[[3-aminocarbonyl-4-(3,4-dimethylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[3-carbamoyl-4-(3,4-dimethylphenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[3-carbamoyl-4-(3,4-dimethylphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[3-carbamoyl-4-(3,4-dimethylphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[3-carbamoyl-4-(3,4-dimethylphenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H21N2O4S- MolecularWeight: 397.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)C3CC=CCC3C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)N)NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])C

InChI

InChI=1S/C21H22N2O4S/c1-11-7-8-13(9-12(11)2)16-10-28-20(17(16)18(22)24)23-19(25)14-5-3-4-6-15(14)21(26)27/h3-4,7-10,14-15H,5-6H2,1-2H3,(H2,22,24)(H,23,25)(H,26,27)/p-1/t14-,15+/m0/s1