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

Systemtic Name: (1S,6S)-6-[(3-aminocarbonylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[(3-carbamoyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[[(3-carbamoyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[(3-carbamoylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[(3-carbamoyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=CS2)C(=O)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c14-10(16)9-5-6-20-12(9)15-11(17)7-3-1-2-4-8(7)13(18)19/h1-2,5-8H,3-4H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1