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

Systemtic Name: ethyl 3-prop-2-ynyl-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H23N3O5S3 MolecularWeight: 517.64082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5S3/c1-3-12-25-17-11-10-16(22(28)31-4-2)15-19(17)33-23(25)24-21(27)18-8-5-6-13-26(18)34(29,30)20-9-7-14-32-20/h1,7,9-11,14-15,18H,4-6,8,12-13H2,2H3