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

Systemtic Name: methyl 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H17ClN2O4S2 MolecularWeight: 460.95368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)CC(=O)OC

InChI

InChI=1S/C21H17ClN2O4S2/c1-3-28-12-8-9-14-16(10-12)30-21(24(14)11-17(25)27-2)23-20(26)19-18(22)13-6-4-5-7-15(13)29-19/h4-10H,3,11H2,1-2H3