N-[[3-(2-chloranylprop-2-enoxy)-4-methoxy-phenyl]methyl]-3-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[[3-(2-chloranylprop-2-enoxy)-4-methoxy-phenyl]methyl]-3-methyl-N-[(3S)-2-oxidanylideneazepan-3-yl]thiophene-2-carboxamide Openeye Name: N-[[3-(2-chloroallyloxy)-4-methoxy-phenyl]methyl]-3-methyl-N-[(3S)-2-oxoazepan-3-yl]thiophene-2-carboxamide CAS Name: N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-3-methyl-N-[(3S)-2-oxo-3-azepanyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-3-methyl-N-[(3S)-2-oxoazepan-3-yl]thiophene-2-carboxamide Traditional Name: N-[3-(2-chloroallyloxy)-4-methoxy-benzyl]-N-[(3S)-2-ketoazepan-3-yl]-3-methyl-thiophene-2-carboxamide Formula: C23H27ClN2O4S MolecularWeight: 462.98948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OCC(=C)Cl)C3CCCCNC3=O

Isomeric SMILES

CC1=C(SC=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OCC(=C)Cl)[C@H]3CCCCNC3=O

InChI

InChI=1S/C23H27ClN2O4S/c1-15-9-11-31-21(15)23(28)26(18-6-4-5-10-25-22(18)27)13-17-7-8-19(29-3)20(12-17)30-14-16(2)24/h7-9,11-12,18H,2,4-6,10,13-14H2,1,3H3,(H,25,27)/t18-/m0/s1