ethyl 2-[[6-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[6-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[6-[[2-(2-anilino-2-oxo-ethyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[2-[(2-anilino-2-oxoethyl)thio]-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-[[2-(2-anilino-2-oxoethyl)sulfanylacetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[[2-[(2-anilino-2-keto-ethyl)thio]acetyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid ethyl ester Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=CC=CC=C3

InChI

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