ethyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(allylamino)-4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiazole-5-carboxylate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-2-(prop-2-enylamino)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(prop-2-enylamino)-1,3-thiazole-5-carboxylate Traditional Name: 2-(allylamino)-4-[(1,3-benzothiazol-2-ylthio)methyl]thiazole-5-carboxylic acid ethyl ester Formula: C17H17N3O2S3 MolecularWeight: 391.53078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NCC=C)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NCC=C)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17N3O2S3/c1-3-9-18-16-19-12(14(25-16)15(21)22-4-2)10-23-17-20-11-7-5-6-8-13(11)24-17/h3,5-8H,1,4,9-10H2,2H3,(H,18,19)