methyl 3-[4-(1,3-benzothiazol-2-ylmethyl)-2-(methylcarbamoyl)piperazin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-(1,3-benzothiazol-2-ylmethyl)-2-(methylcarbamoyl)piperazin-1-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-(1,3-benzothiazol-2-ylmethyl)-2-(methylcarbamoyl)piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)-2-(methylcarbamoyl)-1-piperazinyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzothiazol-2-ylmethyl)-2-(methylcarbamoyl)piperazin-1-yl]-3-oxopropanoate Traditional Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)-2-(methylcarbamoyl)piperazino]-3-keto-propionic acid methyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C(=O)CC(=O)OC)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=O)C1CN(CCN1C(=O)CC(=O)OC)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H22N4O4S/c1-19-18(25)13-10-21(7-8-22(13)16(23)9-17(24)26-2)11-15-20-12-5-3-4-6-14(12)27-15/h3-6,13H,7-11H2,1-2H3,(H,19,25)