methyl 3-(2-ethoxyethyl)-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxyethyl)-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxyethyl)-2-[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxyethyl)-2-(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-[1-(2-thienylsulfonyl)prolyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H25N3O6S3 MolecularWeight: 523.6454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N3O6S3/c1-3-31-12-11-24-16-9-8-15(21(27)30-2)14-18(16)33-22(24)23-20(26)17-6-4-10-25(17)34(28,29)19-7-5-13-32-19/h5,7-9,13-14,17H,3-4,6,10-12H2,1-2H3