(1R,6S)-6-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C19H22N3O4S- MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)[O-])C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])C#N)C

InChI

InChI=1S/C19H23N3O4S/c1-4-22(5-2)18(24)15-11(3)14(10-20)17(27-15)21-16(23)12-8-6-7-9-13(12)19(25)26/h6-7,12-13H,4-5,8-9H2,1-3H3,(H,21,23)(H,25,26)/p-1/t12-,13+/m0/s1