(1S,6R)-6-[[3-(phenylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[[3-(phenylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[3-(phenylcarbamoyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[[3-[anilino(oxo)methyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[[3-(phenylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[[3-(phenylcarbamoyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=CS2)C(=O)NC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=C(C=CS2)C(=O)NC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H18N2O4S/c22-16(13-8-4-5-9-14(13)19(24)25)21-18-15(10-11-26-18)17(23)20-12-6-2-1-3-7-12/h1-7,10-11,13-14H,8-9H2,(H,20,23)(H,21,22)(H,24,25)/t13-,14+/m1/s1