ethyl 2-azanyl-4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[(1,3-benzothiazol-2-ylthio)methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[(1,3-benzothiazol-2-ylthio)methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H17N3O3S3 MolecularWeight: 407.53018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3S2)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3S2)C(=O)NC)N

InChI

InChI=1S/C17H17N3O3S3/c1-3-23-16(22)12-9(13(15(21)19-2)26-14(12)18)8-24-17-20-10-6-4-5-7-11(10)25-17/h4-7H,3,8,18H2,1-2H3,(H,19,21)