methyl 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2O3S3/c1-23-18(22)9-13(14-7-4-8-25-14)19-16(21)10-24-11-17-20-12-5-2-3-6-15(12)26-17/h2-8,13H,9-11H2,1H3,(H,19,21)