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

Systemtic Name: ethyl 3-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H21ClN2O5S2 MolecularWeight: 505.00624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC)OC

InChI

InChI=1S/C23H21ClN2O5S2/c1-4-31-17(27)11-12-26-19-14(29-2)9-10-15(30-3)20(19)33-23(26)25-22(28)21-18(24)13-7-5-6-8-16(13)32-21/h5-10H,4,11-12H2,1-3H3