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

Systemtic Name: (1S,6S)-6-[(3-methoxycarbonyl-5-propyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(3-methoxycarbonyl-5-propyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[(3-methoxycarbonyl-5-propyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(3-methoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(3-carbomethoxy-5-propyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C17H20NO5S- MolecularWeight: 350.4094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5S/c1-3-6-10-9-13(17(22)23-2)15(24-10)18-14(19)11-7-4-5-8-12(11)16(20)21/h4-5,9,11-12H,3,6-8H2,1-2H3,(H,18,19)(H,20,21)/p-1/t11-,12-/m0/s1