ethyl 1-(aminocarbonylamino)-2-azanylidene-3-(1,3-benzothiazol-2-yl)-5-methyl-3H-pyrrole-4-carboxylate

Systemtic Name: ethyl 1-(aminocarbonylamino)-2-azanylidene-3-(1,3-benzothiazol-2-yl)-5-methyl-3H-pyrrole-4-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-2-imino-5-methyl-1-ureido-3H-pyrrole-4-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-1-(carbamoylamino)-2-imino-5-methyl-3H-pyrrole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-1-(carbamoylamino)-2-imino-5-methyl-3H-pyrrole-4-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-yl)-5-imino-2-methyl-1-ureido-2-pyrroline-3-carboxylic acid ethyl ester Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=N)C1C2=NC3=CC=CC=C3S2)NC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=N)C1C2=NC3=CC=CC=C3S2)NC(=O)N)C

InChI

InChI=1S/C16H17N5O3S/c1-3-24-15(22)11-8(2)21(20-16(18)23)13(17)12(11)14-19-9-6-4-5-7-10(9)25-14/h4-7,12,17H,3H2,1-2H3,(H3,18,20,23)