O1-methyl O4-[7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isochromen-7-yl] butanedioate

Systemtic Name: O1-methyl O4-[7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isochromen-7-yl] butanedioate Openeye Name: O1-methyl O4-[7-methyl-6,8-dioxo-3-(3-thienyl)isochromen-7-yl] butanedioate CAS Name: butanedioic acid O1-methyl ester O4-[7-methyl-6,8-dioxo-3-(3-thiophenyl)-2-benzopyran-7-yl] ester IUPAC Name: 1-O-methyl 4-O-(7-methyl-6,8-dioxo-3-thiophen-3-ylisochromen-7-yl) butanedioate Traditional Name: succinic acid O4-[6,8-diketo-7-methyl-3-(3-thienyl)isochromen-7-yl] ester O1-methyl ester Formula: C19H16O7S MolecularWeight: 388.39114

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CSC=C3)OC(=O)CCC(=O)OC

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CSC=C3)OC(=O)CCC(=O)OC

InChI

InChI=1S/C19H16O7S/c1-19(26-17(22)4-3-16(21)24-2)15(20)8-12-7-14(11-5-6-27-10-11)25-9-13(12)18(19)23/h5-10H,3-4H2,1-2H3