(2S)-2-[2-(benzotriazol-1-yl)ethanoyl-butyl-amino]-N-(2-methoxyethyl)-2-thiophen-2-yl-ethanamide

Systemtic Name: (2S)-2-[2-(benzotriazol-1-yl)ethanoyl-butyl-amino]-N-(2-methoxyethyl)-2-thiophen-2-yl-ethanamide Openeye Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-butyl-amino]-N-(2-methoxyethyl)-2-(2-thienyl)acetamide CAS Name: (2S)-2-[[2-(1-benzotriazolyl)-1-oxoethyl]-butylamino]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide IUPAC Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide Traditional Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-butyl-amino]-N-(2-methoxyethyl)-2-(2-thienyl)acetamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(C1=CC=CS1)C(=O)NCCOC)C(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCN([C@H](C1=CC=CS1)C(=O)NCCOC)C(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H27N5O3S/c1-3-4-12-25(19(27)15-26-17-9-6-5-8-16(17)23-24-26)20(18-10-7-14-30-18)21(28)22-11-13-29-2/h5-10,14,20H,3-4,11-13,15H2,1-2H3,(H,22,28)/t20-/m1/s1