[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-(5-phenyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-phenyl-2-thiophenyl)-2-propenoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-phenyl-2-thienyl)acrylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C=CC2=CC=C(S2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)/C=C/C2=CC=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO3S/c1-17(22(25)23-15-7-2-3-8-16-23)26-21(24)14-12-19-11-13-20(27-19)18-9-5-4-6-10-18/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3/b14-12+