(1S,6S)-6-[[3-aminocarbonyl-4-(4-chlorophenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[3-aminocarbonyl-4-(4-chlorophenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[3-carbamoyl-4-(4-chlorophenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[[3-carbamoyl-4-(4-chlorophenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[3-carbamoyl-4-(4-chlorophenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[3-carbamoyl-4-(4-chlorophenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C19H16ClN2O4S- MolecularWeight: 403.85934

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)N)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@H]1C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)N)C(=O)[O-]

InChI

InChI=1S/C19H17ClN2O4S/c20-11-7-5-10(6-8-11)14-9-27-18(15(14)16(21)23)22-17(24)12-3-1-2-4-13(12)19(25)26/h1-2,5-9,12-13H,3-4H2,(H2,21,23)(H,22,24)(H,25,26)/p-1/t12-,13-/m0/s1