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

Systemtic Name: ethyl 2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H17ClN2O5S3 MolecularWeight: 509.01808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H17ClN2O5S3/c1-3-29-17(25)11-24-14-9-8-12(32(2,27)28)10-16(14)31-21(24)23-20(26)19-18(22)13-6-4-5-7-15(13)30-19/h4-10H,3,11H2,1-2H3