[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C17H15BrO3S3 MolecularWeight: 443.3982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C=CC3=CC=C(S3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)/C=C/C3=CC=C(S3)Br

InChI

InChI=1S/C17H15BrO3S3/c1-20-14-10-11(17-22-8-9-23-17)2-5-13(14)21-16(19)7-4-12-3-6-15(18)24-12/h2-7,10,17H,8-9H2,1H3/b7-4+