methyl 3-prop-2-ynyl-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-prop-2-ynyl-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-prop-2-ynyl-2-[1-(2-thienylsulfonyl)piperidine-2-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(1-thiophen-2-ylsulfonyl-2-piperidinyl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-prop-2-ynyl-2-(1-thiophen-2-ylsulfonylpiperidine-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-[1-(2-thienylsulfonyl)pipecoloyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H21N3O5S3 MolecularWeight: 503.61424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CC#C

InChI

InChI=1S/C22H21N3O5S3/c1-3-11-24-16-10-9-15(21(27)30-2)14-18(16)32-22(24)23-20(26)17-7-4-5-12-25(17)33(28,29)19-8-6-13-31-19/h1,6,8-10,13-14,17H,4-5,7,11-12H2,2H3