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

Systemtic Name: ethyl 3-[2-(benzotriazol-1-yl)ethanoyl-[2-(cyclopentylamino)-2-oxidanylidene-1-thiophen-3-yl-ethyl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O4S/c1-2-37-28(36)19-8-7-11-22(16-19)33(25(34)17-32-24-13-6-5-12-23(24)30-31-32)26(20-14-15-38-18-20)27(35)29-21-9-3-4-10-21/h5-8,11-16,18,21,26H,2-4,9-10,17H2,1H3,(H,29,35)