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

Systemtic Name: ethyl 4-[2-(benzotriazol-1-yl)ethanoyl-[2-(cyclopentylamino)-2-oxidanylidene-1-thiophen-2-yl-ethyl]amino]benzoate Openeye Name: ethyl 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl]amino]benzoate CAS Name: 4-[[2-(1-benzotriazolyl)-1-oxoethyl]-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]amino]benzoate Traditional Name: 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclopentylamino)-2-keto-1-(2-thienyl)ethyl]amino]benzoic acid ethyl ester Formula: C28H29N5O4S MolecularWeight: 531.62596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCC3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

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