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

Systemtic Name: (1R,6S)-6-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(5-methoxycarbonyl-4-methyl-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[(5-methoxycarbonyl-4-methyl-2-thiazolyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(5-carbomethoxy-4-methyl-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2CC=CCC2C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)C(=O)OC

InChI

InChI=1S/C14H16N2O5S/c1-7-10(13(20)21-2)22-14(15-7)16-11(17)8-5-3-4-6-9(8)12(18)19/h3-4,8-9H,5-6H2,1-2H3,(H,18,19)(H,15,16,17)/t8-,9+/m0/s1