6-bromanyl-3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]chromen-2-one

Systemtic Name: 6-bromanyl-3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]chromen-2-one Openeye Name: 6-bromo-3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]chromen-2-one CAS Name: 6-bromo-3-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]chromen-2-one Traditional Name: 6-bromo-3-[(E)-3-[4-(methylthio)phenyl]acryloyl]coumarin Formula: C19H13BrO3S MolecularWeight: 401.27372

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C19H13BrO3S/c1-24-15-6-2-12(3-7-15)4-8-17(21)16-11-13-10-14(20)5-9-18(13)23-19(16)22/h2-11H,1H3/b8-4+