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

Systemtic Name: ethyl 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H15N5O4S2 MolecularWeight: 405.4514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O4S2/c1-2-25-14(24)8-3-4-9-10(5-8)27-16(18-9)21-13(23)7-26-15-19-11(17)6-12(22)20-15/h3-6H,2,7H2,1H3,(H,18,21,23)(H3,17,19,20,22)