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

Systemtic Name: (1R,6S)-6-[(3-aminocarbonyl-5-propyl-thiophen-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(3-carbamoyl-5-propyl-2-thienyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[(3-carbamoyl-5-propyl-2-thiophenyl)amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(3-carbamoyl-5-propyl-2-thienyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C18H23N2O4S- MolecularWeight: 363.45122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C2CC(=C(CC2C(=O)[O-])C)C)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-4-5-11-8-14(15(19)21)17(25-11)20-16(22)12-6-9(2)10(3)7-13(12)18(23)24/h8,12-13H,4-7H2,1-3H3,(H2,19,21)(H,20,22)(H,23,24)/p-1/t12-,13+/m0/s1