(1R,6S)-6-[(3-aminocarbonyl-5-propyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(3-aminocarbonyl-5-propyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(3-carbamoyl-5-propyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[(3-carbamoyl-5-propyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(3-carbamoyl-5-propyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H19N2O4S- MolecularWeight: 335.39806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C2CC=CCC2C(=O)[O-])C(=O)N

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])C(=O)N

InChI

InChI=1S/C16H20N2O4S/c1-2-5-9-8-12(13(17)19)15(23-9)18-14(20)10-6-3-4-7-11(10)16(21)22/h3-4,8,10-11H,2,5-7H2,1H3,(H2,17,19)(H,18,20)(H,21,22)/p-1/t10-,11+/m0/s1