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

Systemtic Name: (1S,6S)-6-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(3,5-dicarbethoxy-4-methyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C19H22NO7S- MolecularWeight: 408.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2CC=CCC2C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C19H23NO7S/c1-4-26-18(24)13-10(3)14(19(25)27-5-2)28-16(13)20-15(21)11-8-6-7-9-12(11)17(22)23/h6-7,11-12H,4-5,8-9H2,1-3H3,(H,20,21)(H,22,23)/p-1/t11-,12-/m0/s1