2-[[6-[(1-thiophen-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(1-thiophen-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[oxo-[1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[[1-(2-thenoyl)prolyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O4S3/c1-13(25)28-9-11-30-21-23-15-7-6-14(12-18(15)31-21)22-19(26)16-4-2-8-24(16)20(27)17-5-3-10-29-17/h3,5-7,10,12,16H,2,4,8-9,11H2,1H3,(H,22,26)