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

Systemtic Name: methyl 3-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-4-methyl-benzoic acid methyl ester Formula: C16H14BrNO3S MolecularWeight: 380.25626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C16H14BrNO3S/c1-10-3-4-11(16(20)21-2)9-13(10)18-15(19)8-6-12-5-7-14(17)22-12/h3-9H,1-2H3,(H,18,19)/b8-6+