methyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C15H13N5O4S2 MolecularWeight: 391.42482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C15H13N5O4S2/c1-24-13(23)7-2-3-8-9(4-7)26-15(17-8)20-12(22)6-25-14-18-10(16)5-11(21)19-14/h2-5H,6H2,1H3,(H,17,20,22)(H3,16,18,19,21)