methyl 3-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H20N4O3S/c1-29-21(27)13-18(20-7-4-12-30-20)23-22(28)16-10-8-15(9-11-16)14-26-19-6-3-2-5-17(19)24-25-26/h2-12,18H,13-14H2,1H3,(H,23,28)