methyl N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: methyl N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: methyl N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]carbamate Traditional Name: N-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-keto-ethyl]carbamic acid methyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CNC(=O)OC

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CNC(=O)OC

InChI

InChI=1S/C18H21N3O3S2/c1-3-4-5-6-7-10-25-18-21-14-9-8-13(11-15(14)26-18)20-16(22)12-19-17(23)24-2/h8-9,11H,3-4,7,10,12H2,1-2H3,(H,19,23)(H,20,22)