(1S,6R)-6-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[4-(p-tolyl)thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[[4-(4-methylphenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[4-(p-tolyl)thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C18H17N2O3S- MolecularWeight: 341.40418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C18H18N2O3S/c1-11-6-8-12(9-7-11)15-10-24-18(19-15)20-16(21)13-4-2-3-5-14(13)17(22)23/h2-3,6-10,13-14H,4-5H2,1H3,(H,22,23)(H,19,20,21)/p-1/t13-,14+/m1/s1