methyl 3-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3-chlorobenzothiophene-2-carbonyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3-chlorobenzothiophene-2-carbonyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H19ClN2O5S2 MolecularWeight: 490.97966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)N2CCC(=O)OC

InChI

InChI=1S/C22H19ClN2O5S2/c1-28-13-8-9-14(29-2)19-18(13)25(11-10-16(26)30-3)22(32-19)24-21(27)20-17(23)12-6-4-5-7-15(12)31-20/h4-9H,10-11H2,1-3H3