ethyl 2-[6-butyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-butyl-2-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-butyl-2-[1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[oxo-(1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-butyl-2-(1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-[1-(2-thienylsulfonyl)prolyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H29N3O5S3 MolecularWeight: 535.69916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)S2)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)S2)CC(=O)OCC

InChI

InChI=1S/C24H29N3O5S3/c1-3-5-8-17-11-12-18-20(15-17)34-24(26(18)16-21(28)32-4-2)25-23(29)19-9-6-13-27(19)35(30,31)22-10-7-14-33-22/h7,10-12,14-15,19H,3-6,8-9,13,16H2,1-2H3