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

Systemtic Name: (1S,6R)-6-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[4-(2-naphthyl)thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[[4-(2-naphthalenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[[4-(2-naphthyl)thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

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