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

Systemtic Name: methyl 3-[2-(benzotriazol-1-yl)ethanoyl-[2-(cyclopentylamino)-2-oxidanylidene-1-thiophen-3-yl-ethyl]amino]benzoate Openeye Name: methyl 3-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclopentylamino)-2-oxo-1-(3-thienyl)ethyl]amino]benzoate CAS Name: 3-[[2-(1-benzotriazolyl)-1-oxoethyl]-[2-(cyclopentylamino)-2-oxo-1-(3-thiophenyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclopentylamino)-2-oxo-1-thiophen-3-ylethyl]amino]benzoate Traditional Name: 3-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclopentylamino)-2-keto-1-(3-thienyl)ethyl]amino]benzoic acid methyl ester Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N(C(C2=CSC=C2)C(=O)NC3CCCC3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N(C(C2=CSC=C2)C(=O)NC3CCCC3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H27N5O4S/c1-36-27(35)18-7-6-10-21(15-18)32(24(33)16-31-23-12-5-4-11-22(23)29-30-31)25(19-13-14-37-17-19)26(34)28-20-8-2-3-9-20/h4-7,10-15,17,20,25H,2-3,8-9,16H2,1H3,(H,28,34)