dimethyl 5-azanyl-3-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(1,3-benzothiazol-2-ylthio)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(1,3-benzothiazol-2-ylthio)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H14N2O4S3 MolecularWeight: 394.48836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3S2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3S2)C(=O)OC)N

InChI

InChI=1S/C16H14N2O4S3/c1-21-14(19)11-8(12(15(20)22-2)25-13(11)17)7-23-16-18-9-5-3-4-6-10(9)24-16/h3-6H,7,17H2,1-2H3