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

Systemtic Name: (1S,6S)-6-[(3-ethoxycarbonyl-5-propan-2-yl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(3-ethoxycarbonyl-5-isopropyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[(3-ethoxycarbonyl-5-propan-2-yl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(3-carbethoxy-5-isopropyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C18H22NO5S- MolecularWeight: 364.43598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5S/c1-4-24-18(23)13-9-14(10(2)3)25-16(13)19-15(20)11-7-5-6-8-12(11)17(21)22/h5-6,9-12H,4,7-8H2,1-3H3,(H,19,20)(H,21,22)/p-1/t11-,12-/m0/s1