[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(2-ethyl-6-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-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C=CC2=CC=C(S2)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)/C=C/C2=CC=C(S2)Br)C

InChI

InChI=1S/C18H18BrNO3S/c1-3-13-6-4-5-12(2)18(13)20-16(21)11-23-17(22)10-8-14-7-9-15(19)24-14/h4-10H,3,11H2,1-2H3,(H,20,21)/b10-8+