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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C24H19N5O4S MolecularWeight: 473.50376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)NC(=O)C5=CC=CS5

InChI

InChI=1S/C24H19N5O4S/c30-22(21-10-5-11-34-21)26-20(12-15-13-25-18-8-3-1-6-16(15)18)24(32)33-14-29-23(31)17-7-2-4-9-19(17)27-28-29/h1-11,13,20,25H,12,14H2,(H,26,30)