tert-butyl N-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-hept-6-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-hept-6-en-2-yl]carbamate Openeye Name: tert-butyl N-[1-(1,3-benzothiazol-2-ylcarbamoyl)hex-5-enyl]carbamate CAS Name: N-[1-(1,3-benzothiazol-2-ylamino)-1-oxohept-6-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(1,3-benzothiazol-2-ylamino)-1-oxohept-6-en-2-yl]carbamate Traditional Name: N-[1-(1,3-benzothiazol-2-ylcarbamoyl)hex-5-enyl]carbamic acid tert-butyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC=C)C(=O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCC=C)C(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C19H25N3O3S/c1-5-6-7-11-14(21-18(24)25-19(2,3)4)16(23)22-17-20-13-10-8-9-12-15(13)26-17/h5,8-10,12,14H,1,6-7,11H2,2-4H3,(H,21,24)(H,20,22,23)