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ethyl 2-(3-phenylsulfanylpropanoylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

ethyl 2-(3-phenylsulfanylpropanoylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name:ethyl 2-(3-phenylsulfanylpropanoylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
Openeye Name:ethyl 3-allyl-2-(3-phenylsulfanylpropanoylimino)-1,3-benzothiazole-6-carboxylate
CAS Name:2-[1-oxo-3-(phenylthio)propyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC Name:ethyl 2-(3-phenylsulfanylpropanoylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate
Traditional Name:3-allyl-2-[3-(phenylthio)propanoylimino]-1,3-benzothiazole-6-carboxylic acid ethyl ester
Formula: C22H22N2O3S2
MolecularWeight: 426.55168
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CC=C


Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CC=C


InChI

InChI=1S/C22H22N2O3S2/c1-3-13-24-18-11-10-16(21(26)27-4-2)15-19(18)29-22(24)23-20(25)12-14-28-17-8-6-5-7-9-17/h3,5-11,15H,1,4,12-14H2,2H3


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