(1R,6S)-6-[(3-aminocarbonyl-5-ethyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(3-aminocarbonyl-5-ethyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(3-carbamoyl-5-ethyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[(3-carbamoyl-5-ethyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(3-carbamoyl-5-ethylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(3-carbamoyl-5-ethyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C(=O)N

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)C(=O)N

InChI

InChI=1S/C15H18N2O4S/c1-2-8-7-11(12(16)18)14(22-8)17-13(19)9-5-3-4-6-10(9)15(20)21/h3-4,7,9-10H,2,5-6H2,1H3,(H2,16,18)(H,17,19)(H,20,21)/t9-,10+/m0/s1