ethyl 2-[2-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl]sulfanylthiazol-4-yl]acetate CAS Name: 2-[2-[[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]thio]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl]thio]thiazol-4-yl]acetic acid ethyl ester Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SC(C)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SC(C)C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17N3O3S3/c1-3-23-14(21)8-11-9-24-17(18-11)25-10(2)15(22)20-16-19-12-6-4-5-7-13(12)26-16/h4-7,9-10H,3,8H2,1-2H3,(H,19,20,22)