ethyl 2-[2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-nitro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H15N3O5S2 MolecularWeight: 441.4802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5S2/c1-2-28-18(24)11-22-14-5-3-4-6-16(14)30-20(22)21-19(25)17-10-12-9-13(23(26)27)7-8-15(12)29-17/h3-10H,2,11H2,1H3