[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (Z)-3-(4-fluorophenyl)-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-(4-fluorophenyl)-2-thiophen-2-yl-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (Z)-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(4-fluorophenyl)-2-(2-thienyl)acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C(=CC2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO3S/c22-17-9-7-16(8-10-17)14-18(19-6-5-13-27-19)21(25)26-15-20(24)23-11-3-1-2-4-12-23/h5-10,13-14H,1-4,11-12,15H2/b18-14+