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

Systemtic Name: (1S,6R)-6-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[4-(1-naphthyl)thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[[4-(1-naphthalenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[4-(1-naphthyl)thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H17N2O3S- MolecularWeight: 377.43628

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NC(=CS2)C3=CC=CC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=NC(=CS2)C3=CC=CC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C21H18N2O3S/c24-19(16-9-3-4-10-17(16)20(25)26)23-21-22-18(12-27-21)15-11-5-7-13-6-1-2-8-14(13)15/h1-8,11-12,16-17H,9-10H2,(H,25,26)(H,22,23,24)/p-1/t16-,17+/m1/s1