methyl 3-[4,7-dimethoxy-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[4,7-dimethoxy-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(5-nitro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H19N3O7S2 MolecularWeight: 501.53216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N2CCC(=O)OC

InChI

InChI=1S/C22H19N3O7S2/c1-30-14-5-6-15(31-2)20-19(14)24(9-8-18(26)32-3)22(34-20)23-21(27)17-11-12-10-13(25(28)29)4-7-16(12)33-17/h4-7,10-11H,8-9H2,1-3H3