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methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate

methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name:methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate
Openeye Name:methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate
CAS Name:2-[[3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester
IUPAC Name:methyl 2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-1,3-benzothiazole-6-carboxylate
Traditional Name:2-[3-[(4-methoxyphenyl)thio]propanoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester
Formula: C19H18N2O4S2
MolecularWeight: 402.48722
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC


Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC


InChI

InChI=1S/C19H18N2O4S2/c1-24-13-4-6-14(7-5-13)26-10-9-17(22)21-19-20-15-8-3-12(18(23)25-2)11-16(15)27-19/h3-8,11H,9-10H2,1-2H3,(H,20,21,22)


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