methyl (2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl (2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (2Z)-3-allyl-2-[(5-chloro-2-thienyl)sulfonylimino]-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-allyl-2-[(5-chloro-2-thienyl)sulfonylimino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H13ClN2O4S3 MolecularWeight: 428.93342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(S3)Cl)S2)CC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(S3)Cl)/S2)CC=C

InChI

InChI=1S/C16H13ClN2O4S3/c1-3-8-19-11-5-4-10(15(20)23-2)9-12(11)24-16(19)18-26(21,22)14-7-6-13(17)25-14/h3-7,9H,1,8H2,2H3/b18-16-