(Z)-but-2-enedioic acid; 8-methyl-7-(2-methylsulfanylethoxy)-4-piperazin-1-yl-chromen-2-one

Systemtic Name: (Z)-but-2-enedioic acid; 8-methyl-7-(2-methylsulfanylethoxy)-4-piperazin-1-yl-chromen-2-one Openeye Name: maleic acid; 8-methyl-7-(2-methylsulfanylethoxy)-4-piperazin-1-yl-chromen-2-one CAS Name: (Z)-2-butenedioic acid; 8-methyl-7-[2-(methylthio)ethoxy]-4-(1-piperazinyl)-1-benzopyran-2-one IUPAC Name: (Z)-but-2-enedioic acid; 8-methyl-7-(2-methylsulfanylethoxy)-4-piperazin-1-ylchromen-2-one Traditional Name: maleic acid; 8-methyl-7-[2-(methylthio)ethoxy]-4-piperazino-coumarin Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2N3CCNCC3)OCCSC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2N3CCNCC3)OCCSC.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C17H22N2O3S.C4H4O4/c1-12-15(21-9-10-23-2)4-3-13-14(11-16(20)22-17(12)13)19-7-5-18-6-8-19;5-3(6)1-2-4(7)8/h3-4,11,18H,5-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-