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

Systemtic Name: (1R,6S)-6-[[4-(4-ethoxyphenyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[4-(4-ethoxyphenyl)-3-methoxycarbonyl-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[4-(4-ethoxyphenyl)-3-methoxycarbonyl-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[4-(4-ethoxyphenyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(3-carbomethoxy-5-methyl-4-p-phenetyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C23H24NO6S- MolecularWeight: 442.50476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])C

InChI

InChI=1S/C23H25NO6S/c1-4-30-15-11-9-14(10-12-15)18-13(2)31-21(19(18)23(28)29-3)24-20(25)16-7-5-6-8-17(16)22(26)27/h5-6,9-12,16-17H,4,7-8H2,1-3H3,(H,24,25)(H,26,27)/p-1/t16-,17+/m0/s1