(Z)-but-2-enedioic acid; 1-phenothiazin-10-yl-2-(3-pyrrolidin-1-ylpropylamino)ethanone

Systemtic Name: (Z)-but-2-enedioic acid; 1-phenothiazin-10-yl-2-(3-pyrrolidin-1-ylpropylamino)ethanone Openeye Name: maleic acid; 1-phenothiazin-10-yl-2-(3-pyrrolidin-1-ylpropylamino)ethanone CAS Name: (Z)-2-butenedioic acid; 1-(10-phenothiazinyl)-2-[3-(1-pyrrolidinyl)propylamino]ethanone IUPAC Name: (Z)-but-2-enedioic acid; 1-phenothiazin-10-yl-2-(3-pyrrolidin-1-ylpropylamino)ethanone Traditional Name: maleic acid; 1-phenothiazin-10-yl-2-(3-pyrrolidinopropylamino)ethanone Formula: C29H33N3O9S MolecularWeight: 599.65202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CC1)CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C21H25N3OS.2C4H4O4/c25-21(16-22-12-7-15-23-13-5-6-14-23)24-17-8-1-3-10-19(17)26-20-11-4-2-9-18(20)24;2*5-3(6)1-2-4(7)8/h1-4,8-11,22H,5-7,12-16H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-