methyl 4-[[[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(E)-3-(5-chloro-2-thienyl)prop-2-enoyl]amino]methyl]benzoate CAS Name: 4-[[[(E)-3-(5-chloro-2-thiophenyl)-1-oxoprop-2-enyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]methyl]benzoate Traditional Name: 4-[[[(E)-3-(5-chloro-2-thienyl)acryloyl]amino]methyl]benzoic acid methyl ester Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC=C(S2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(S2)Cl

InChI

InChI=1S/C16H14ClNO3S/c1-21-16(20)12-4-2-11(3-5-12)10-18-15(19)9-7-13-6-8-14(17)22-13/h2-9H,10H2,1H3,(H,18,19)/b9-7+