ethyl 4-[2-(benzotriazol-1-yl)ethanoyl-[2-(3-methylbutylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]amino]benzoate

Systemtic Name: ethyl 4-[2-(benzotriazol-1-yl)ethanoyl-[2-(3-methylbutylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]amino]benzoate Openeye Name: ethyl 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(isopentylamino)-2-oxo-1-(2-thienyl)ethyl]amino]benzoate CAS Name: 4-[[2-(1-benzotriazolyl)-1-oxoethyl]-[2-(3-methylbutylamino)-2-oxo-1-thiophen-2-ylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(3-methylbutylamino)-2-oxo-1-thiophen-2-ylethyl]amino]benzoate Traditional Name: 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(isoamylamino)-2-keto-1-(2-thienyl)ethyl]amino]benzoic acid ethyl ester Formula: C28H31N5O4S MolecularWeight: 533.64184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC(C)C)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC(C)C)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C28H31N5O4S/c1-4-37-28(36)20-11-13-21(14-12-20)33(25(34)18-32-23-9-6-5-8-22(23)30-31-32)26(24-10-7-17-38-24)27(35)29-16-15-19(2)3/h5-14,17,19,26H,4,15-16,18H2,1-3H3,(H,29,35)