ethyl 5-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(2-guanidinothiazol-4-yl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(diaminomethylideneamino)-4-thiazolyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(2-guanidinothiazol-4-yl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1)C2=CSC(=N2)N=C(N)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)C2=CSC(=N2)N=C(N)N)C

InChI

InChI=1S/C12H15N5O2S/c1-3-19-10(18)7-4-8(15-6(7)2)9-5-20-12(16-9)17-11(13)14/h4-5,15H,3H2,1-2H3,(H4,13,14,16,17)