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

Systemtic Name: methyl 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H12ClN3O5S2 MolecularWeight: 461.89868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H12ClN3O5S2/c1-28-15(24)9-22-12-8-10(23(26)27)6-7-14(12)30-19(22)21-18(25)17-16(20)11-4-2-3-5-13(11)29-17/h2-8H,9H2,1H3