[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] (E)-3-thiophen-2-ylprop-2-enoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] (E)-3-(2-thienyl)prop-2-enoate CAS Name: (E)-3-thiophen-2-yl-2-propenoic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-(2-thienyl)acrylic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H24N2O3S/c24-20(16-26-21(25)12-11-19-6-5-15-27-19)22-17-7-9-18(10-8-17)23-13-3-1-2-4-14-23/h5-12,15H,1-4,13-14,16H2,(H,22,24)/b12-11+