(1S,6R)-6-[(2-ethoxycarbonyl-1-benzothiophen-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(2-ethoxycarbonyl-1-benzothiophen-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(2-ethoxycarbonylbenzothiophen-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[(2-ethoxycarbonyl-1-benzothiophen-5-yl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(2-ethoxycarbonyl-1-benzothiophen-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(2-carbethoxybenzothiophen-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C19H18NO5S- MolecularWeight: 372.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C19H19NO5S/c1-2-25-19(24)16-10-11-9-12(7-8-15(11)26-16)20-17(21)13-5-3-4-6-14(13)18(22)23/h3-4,7-10,13-14H,2,5-6H2,1H3,(H,20,21)(H,22,23)/p-1/t13-,14+/m1/s1