ethyl 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H14ClN3O5S2 MolecularWeight: 475.92526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O5S2/c1-2-29-16(25)10-23-13-8-7-11(24(27)28)9-15(13)31-20(23)22-19(26)18-17(21)12-5-3-4-6-14(12)30-18/h3-9H,2,10H2,1H3