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

Systemtic Name: methyl 1-(aminocarbonylamino)-2-azanylidene-3-(1,3-benzothiazol-2-yl)-5-methyl-3H-pyrrole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=N)N1NC(=O)N)C2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=N)N1NC(=O)N)C2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C15H15N5O3S/c1-7-10(14(21)23-2)11(12(16)20(7)19-15(17)22)13-18-8-5-3-4-6-9(8)24-13/h3-6,11,16H,1-2H3,(H3,17,19,22)