methyl (2E)-2-(5,6-dimethyl-3-oxidanylidene-1-benzofuran-2-ylidene)-2-(4-methylpiperazin-1-yl)ethanoate

Systemtic Name: methyl (2E)-2-(5,6-dimethyl-3-oxidanylidene-1-benzofuran-2-ylidene)-2-(4-methylpiperazin-1-yl)ethanoate Openeye Name: methyl (2E)-2-(5,6-dimethyl-3-oxo-benzofuran-2-ylidene)-2-(4-methylpiperazin-1-yl)acetate CAS Name: (2E)-2-(5,6-dimethyl-3-oxo-2-benzofuranylidene)-2-(4-methyl-1-piperazinyl)acetic acid methyl ester IUPAC Name: methyl (2E)-2-(5,6-dimethyl-3-oxo-1-benzofuran-2-ylidene)-2-(4-methylpiperazin-1-yl)acetate Traditional Name: (2E)-2-(3-keto-5,6-dimethyl-coumaran-2-ylidene)-2-(4-methylpiperazino)acetic acid methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(C(=O)OC)N3CCN(CC3)C)O2)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)/C(=C(/C(=O)OC)\N3CCN(CC3)C)/O2)C

InChI

InChI=1S/C18H22N2O4/c1-11-9-13-14(10-12(11)2)24-17(16(13)21)15(18(22)23-4)20-7-5-19(3)6-8-20/h9-10H,5-8H2,1-4H3/b17-15+