tert-butyl 3-[[5-[(2-ethoxynaphthalen-1-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]amino]propanoate

Systemtic Name: tert-butyl 3-[[5-[(2-ethoxynaphthalen-1-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]amino]propanoate Openeye Name: tert-butyl 3-[[5-[(2-ethoxynaphthalene-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]propanoate CAS Name: 3-[[5-[[(2-ethoxy-1-naphthalenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[5-[(2-ethoxynaphthalene-1-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]propanoate Traditional Name: 3-[[5-[(2-ethoxy-1-naphthoyl)amino]-1,3,4-thiadiazol-2-yl]amino]propionic acid tert-butyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCCC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NN=C(S3)NCCC(=O)OC(C)(C)C

InChI

InChI=1S/C22H26N4O4S/c1-5-29-16-11-10-14-8-6-7-9-15(14)18(16)19(28)24-21-26-25-20(31-21)23-13-12-17(27)30-22(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,23,25)(H,24,26,28)