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

Systemtic Name: (1S,6S)-6-[[3-methoxycarbonyl-5-[(1S)-1-phenylethyl]thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[3-methoxycarbonyl-5-[(1S)-1-phenylethyl]-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[[3-methoxycarbonyl-5-[(1S)-1-phenylethyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[3-methoxycarbonyl-5-[(1S)-1-phenylethyl]thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[3-carbomethoxy-5-[(1S)-1-phenylethyl]-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C22H22NO5S- MolecularWeight: 412.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(S2)NC(=O)C3CC=CCC3C(=O)[O-])C(=O)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)C2=CC(=C(S2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])C(=O)OC

InChI

InChI=1S/C22H23NO5S/c1-13(14-8-4-3-5-9-14)18-12-17(22(27)28-2)20(29-18)23-19(24)15-10-6-7-11-16(15)21(25)26/h3-9,12-13,15-16H,10-11H2,1-2H3,(H,23,24)(H,25,26)/p-1/t13-,15-,16-/m0/s1