ethyl 2-[2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-methyl-1,3-thiazol-5-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-methyl-1,3-thiazol-5-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-methyl-thiazol-5-yl]acetate CAS Name: 2-[2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-4-methyl-5-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetate Traditional Name: 2-[2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-4-methyl-thiazol-5-yl]acetic acid ethyl ester Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C(S1)NC(=O)CSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C(S1)NC(=O)CSC2=NC3=CC=CC=C3S2)C

InChI

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