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

Systemtic Name: (1S,6S)-6-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[4-(4-tert-butylphenyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[4-(4-tert-butylphenyl)-3-carbomethoxy-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C25H28NO5S- MolecularWeight: 454.55852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)[O-])C(=O)OC)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])C(=O)OC)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H29NO5S/c1-14-19(15-10-12-16(13-11-15)25(2,3)4)20(24(30)31-5)22(32-14)26-21(27)17-8-6-7-9-18(17)23(28)29/h6-7,10-13,17-18H,8-9H2,1-5H3,(H,26,27)(H,28,29)/p-1/t17-,18-/m0/s1