methyl 3-(2-ethoxyethyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxyethyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxyethyl)-2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxyethyl)-2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-(4-pyrrolidinosulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C24H27N3O6S2 MolecularWeight: 517.61768

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H27N3O6S2/c1-3-33-15-14-27-20-11-8-18(23(29)32-2)16-21(20)34-24(27)25-22(28)17-6-9-19(10-7-17)35(30,31)26-12-4-5-13-26/h6-11,16H,3-5,12-15H2,1-2H3