methyl 2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-pyrrolidinosulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O5S2/c1-29-19(25)14-24-17-6-2-3-7-18(17)30-21(24)22-20(26)15-8-10-16(11-9-15)31(27,28)23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3