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

Systemtic Name: (1S,6R)-6-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(5-ethoxycarbonyl-4-phenyl-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[(5-ethoxycarbonyl-4-phenyl-2-thiazolyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(5-carbethoxy-4-phenyl-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2CC=CCC2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O5S/c1-2-27-19(26)16-15(12-8-4-3-5-9-12)21-20(28-16)22-17(23)13-10-6-7-11-14(13)18(24)25/h3-9,13-14H,2,10-11H2,1H3,(H,24,25)(H,21,22,23)/t13-,14+/m1/s1