(1R,6S)-6-[[3-(cyclopropylcarbamoyl)-4-ethyl-5-methyl-thiophen-2-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[[3-(cyclopropylcarbamoyl)-4-ethyl-5-methyl-thiophen-2-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[3-(cyclopropylcarbamoyl)-4-ethyl-5-methyl-2-thienyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[3-[(cyclopropylamino)-oxomethyl]-4-ethyl-5-methyl-2-thiophenyl]amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[3-(cyclopropylcarbamoyl)-4-ethyl-5-methyl-2-thienyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C21H27N2O4S- MolecularWeight: 403.51508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)NC2CC2)NC(=O)C3CC(=C(CC3C(=O)[O-])C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)NC2CC2)NC(=O)[C@H]3CC(=C(C[C@H]3C(=O)[O-])C)C)C

InChI

InChI=1S/C21H28N2O4S/c1-5-14-12(4)28-20(17(14)19(25)22-13-6-7-13)23-18(24)15-8-10(2)11(3)9-16(15)21(26)27/h13,15-16H,5-9H2,1-4H3,(H,22,25)(H,23,24)(H,26,27)/p-1/t15-,16+/m0/s1