(1S,6S)-6-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[(3-carbamoyl-4,5-dimethyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[[(3-carbamoyl-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[(3-carbamoyl-4,5-dimethyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2CC=CCC2C(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)C

InChI

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