[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H10BrNO4S MolecularWeight: 392.2239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C=CC(=O)OCC(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)/C=C/C(=O)OCC(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H10BrNO4S/c17-14-6-5-13(23-14)11(19)9-21-16(20)8-7-15-18-10-3-1-2-4-12(10)22-15/h1-8H,9H2/b8-7+