[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO4S/c1-11-3-6-14(22-2)13(9-11)19-16(20)10-23-17(21)8-5-12-4-7-15(18)24-12/h3-9H,10H2,1-2H3,(H,19,20)/b8-5+