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

Systemtic Name: (1R,6S)-6-[[3-(cyclopropylcarbamoyl)-4-ethyl-5-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[[3-(cyclopropylcarbamoyl)-4-ethyl-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[[3-[(cyclopropylamino)-oxomethyl]-4-ethyl-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[[3-(cyclopropylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[[3-(cyclopropylcarbamoyl)-4-ethyl-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)NC2CC2)NC(=O)C3CC=CCC3C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4S/c1-3-12-10(2)26-18(15(12)17(23)20-11-8-9-11)21-16(22)13-6-4-5-7-14(13)19(24)25/h4-5,11,13-14H,3,6-9H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t13-,14+/m0/s1