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

Systemtic Name: ethyl 3-[4,7-dimethoxy-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H21N3O7S2 MolecularWeight: 515.55874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C23H21N3O7S2/c1-4-33-19(27)9-10-25-20-15(31-2)6-7-16(32-3)21(20)35-23(25)24-22(28)18-12-13-11-14(26(29)30)5-8-17(13)34-18/h5-8,11-12H,4,9-10H2,1-3H3