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

Systemtic Name: methyl 2-[[6-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H19N3O4S3 MolecularWeight: 461.57756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S3/c1-27-19(26)12-29-20-23-15-8-7-14(9-16(15)30-20)22-18(25)11-28-10-17(24)21-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,21,24)(H,22,25)