(1S,2S)-2-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(3,5-dicarbomethoxy-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylate Formula: C17H20NO7S- MolecularWeight: 382.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2CCCCC2C(=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C(=O)OC

InChI

InChI=1S/C17H21NO7S/c1-8-11(16(22)24-2)14(26-12(8)17(23)25-3)18-13(19)9-6-4-5-7-10(9)15(20)21/h9-10H,4-7H2,1-3H3,(H,18,19)(H,20,21)/p-1/t9-,10-/m0/s1