ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methoxy-2-oxo-ethyl)-2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxy-2-oxoethyl)-2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-(4-pyrrolidinosulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C24H25N3O7S2 MolecularWeight: 531.6012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S2)CC(=O)OC

InChI

InChI=1S/C24H25N3O7S2/c1-3-34-23(30)17-8-11-19-20(14-17)35-24(27(19)15-21(28)33-2)25-22(29)16-6-9-18(10-7-16)36(31,32)26-12-4-5-13-26/h6-11,14H,3-5,12-13,15H2,1-2H3