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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NC2CCCCC2)NC(=O)C3CC=CCC3C(=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NC2CCCCC2)NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])C

InChI

InChI=1S/C21H28N2O4S/c1-12-13(2)28-20(17(12)19(25)22-14-8-4-3-5-9-14)23-18(24)15-10-6-7-11-16(15)21(26)27/h6-7,14-16H,3-5,8-11H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/p-1/t15-,16+/m0/s1