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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C16H14BrNO3S MolecularWeight: 380.25626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO3S/c17-14-8-6-13(22-14)7-9-16(20)21-11-15(19)18-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)/b9-7+