tert-butyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)amino]-2-(1,3-benzodioxol-5-yl)ethanoate

Systemtic Name: tert-butyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)amino]-2-(1,3-benzodioxol-5-yl)ethanoate Openeye Name: tert-butyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]-2-(1,3-benzodioxol-5-yl)acetate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]-2-(1,3-benzodioxol-5-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]-2-(1,3-benzodioxol-5-yl)acetate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]-2-(1,3-benzodioxol-5-yl)acetic acid tert-butyl ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=CC2=C(C=C1)OCO2)NC3=NN=C(S3)N

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=CC2=C(C=C1)OCO2)NC3=NN=C(S3)N

InChI

InChI=1S/C15H18N4O4S/c1-15(2,3)23-12(20)11(17-14-19-18-13(16)24-14)8-4-5-9-10(6-8)22-7-21-9/h4-6,11H,7H2,1-3H3,(H2,16,18)(H,17,19)