tert-butyl 2-[(2Z)-2-indol-2-ylidene-3H-1,3,4-thiadiazol-5-yl]ethanoate

Systemtic Name: tert-butyl 2-[(2Z)-2-indol-2-ylidene-3H-1,3,4-thiadiazol-5-yl]ethanoate Openeye Name: tert-butyl 2-[(2Z)-2-indol-2-ylidene-3H-1,3,4-thiadiazol-5-yl]acetate CAS Name: 2-[(2Z)-2-(2-indolylidene)-3H-1,3,4-thiadiazol-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2Z)-2-indol-2-ylidene-3H-1,3,4-thiadiazol-5-yl]acetate Traditional Name: 2-[(2Z)-2-indol-2-ylidene-3H-1,3,4-thiadiazol-5-yl]acetic acid tert-butyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=NNC(=C2C=C3C=CC=CC3=N2)S1

Isomeric SMILES

CC(C)(C)OC(=O)CC1=NN/C(=C/2\C=C3C=CC=CC3=N2)/S1

InChI

InChI=1S/C16H17N3O2S/c1-16(2,3)21-14(20)9-13-18-19-15(22-13)12-8-10-6-4-5-7-11(10)17-12/h4-8,19H,9H2,1-3H3/b15-12-