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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H13ClO4S MolecularWeight: 360.81142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClO4S/c1-11-6-16-14(8-15(11)19)13(7-18(21)23-16)9-22-17(20)3-2-12-4-5-24-10-12/h2-8,10H,9H2,1H3/b3-2+