(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-phenyl-2-(2-thenoylamino)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N4O4S/c27-20(19-11-6-12-31-19)23-18(13-15-7-2-1-3-8-15)22(29)30-14-26-21(28)16-9-4-5-10-17(16)24-25-26/h1-12,18H,13-14H2,(H,23,27)