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

Systemtic Name: 3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]chromen-2-one Openeye Name: 3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]chromen-2-one CAS Name: 3-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]-1-benzopyran-2-one IUPAC Name: 3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]chromen-2-one Traditional Name: 3-[(E)-3-[4-(methylthio)phenyl]acryloyl]coumarin Formula: C19H14O3S MolecularWeight: 322.37766

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C19H14O3S/c1-23-15-9-6-13(7-10-15)8-11-17(20)16-12-14-4-2-3-5-18(14)22-19(16)21/h2-12H,1H3/b11-8+