methyl (2Z)-3-prop-2-ynyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl (2Z)-3-prop-2-ynyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (2Z)-3-prop-2-ynyl-2-(2-thienylsulfonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-3-prop-2-ynyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl (2Z)-3-prop-2-ynyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-propargyl-2-(2-thienylsulfonylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H12N2O4S3 MolecularWeight: 392.47248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=CS3)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=CS3)/S2)CC#C

InChI

InChI=1S/C16H12N2O4S3/c1-3-8-18-12-7-6-11(15(19)22-2)10-13(12)24-16(18)17-25(20,21)14-5-4-9-23-14/h1,4-7,9-10H,8H2,2H3/b17-16-