(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C=CC3=CSC=C3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)/C=C/C3=CSC=C3)C(C)C

InChI

InChI=1S/C21H20O4S/c1-13(2)17-10-18-16(9-21(23)25-19(18)8-14(17)3)11-24-20(22)5-4-15-6-7-26-12-15/h4-10,12-13H,11H2,1-3H3/b5-4+