ethyl 2-[2-(benzotriazol-1-yl)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(benzotriazol-1-yl)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H20N4O3S/c1-4-25-18(24)12-9-15(11(2)3)26-17(12)19-16(23)10-22-14-8-6-5-7-13(14)20-21-22/h5-9,11H,4,10H2,1-3H3,(H,19,23)