(Z)-but-2-enedioic acid; 1-(1-methoxybenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine

Systemtic Name: (Z)-but-2-enedioic acid; 1-(1-methoxybenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Openeye Name: maleic acid; 1-(1-methoxybenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine CAS Name: (Z)-2-butenedioic acid; 1-(1-methoxy-5-benzo[b][1]benzothiepinyl)-4-methylpiperazine IUPAC Name: (Z)-but-2-enedioic acid; 1-(1-methoxybenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine Traditional Name: maleic acid; 1-(1-methoxybenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=CC=C4OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=CC=C4OC.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C20H22N2OS.C4H4O4/c1-21-10-12-22(13-11-21)17-14-15-6-3-4-9-19(15)24-20-16(17)7-5-8-18(20)23-2;5-3(6)1-2-4(7)8/h3-9,14H,10-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-