methyl 4-[2-(ethylcarbamoylamino)-1,3-benzothiazol-6-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-(ethylcarbamoylamino)-1,3-benzothiazol-6-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-(ethylcarbamoylamino)-1,3-benzothiazol-6-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-(ethylcarbamoylamino)-1,3-benzothiazol-6-yl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-(ethylcarbamoylamino)-1,3-benzothiazol-6-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(ethylcarbamoylamino)-1,3-benzothiazol-6-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CNC(=C3)C(=O)OC

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CNC(=C3)C(=O)OC

InChI

InChI=1S/C16H16N4O3S/c1-3-17-15(22)20-16-19-11-5-4-9(7-13(11)24-16)10-6-12(18-8-10)14(21)23-2/h4-8,18H,3H2,1-2H3,(H2,17,19,20,22)