[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-(2-thienyl)prop-2-enoate CAS Name: 3-(4-fluorophenyl)-2-thiophen-2-yl-2-propenoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: 3-(4-fluorophenyl)-2-(2-thienyl)acrylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C22H16FNO5S MolecularWeight: 425.429543

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C(=CC3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C(=CC3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C22H16FNO5S/c23-15-5-3-14(4-6-15)10-17(20-2-1-9-30-20)22(26)27-12-21(25)24-16-7-8-18-19(11-16)29-13-28-18/h1-11H,12-13H2,(H,24,25)