ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3-chlorobenzothiophene-2-carbonyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chloro-1-benzothiophene-2-carbonyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-chlorobenzothiophene-2-carbonyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H17ClN2O3S2 MolecularWeight: 444.95428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H17ClN2O3S2/c1-3-24-14-10-9-12(20(26)27-4-2)11-16(14)29-21(24)23-19(25)18-17(22)13-7-5-6-8-15(13)28-18/h5-11H,3-4H2,1-2H3