[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] (E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoate CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-2-propenoic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)acrylic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H17ClN2O4S MolecularWeight: 428.88868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H17ClN2O4S/c1-12(21(27)24-14-8-6-13(7-9-14)20(23)26)28-18(25)11-10-17-19(22)15-4-2-3-5-16(15)29-17/h2-12H,1H3,(H2,23,26)(H,24,27)/b11-10+