ethyl 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

InChI

InChI=1S/C19H21N3O4S/c1-5-25-12-7-8-13-14(9-12)27-19(21-13)22-17(23)16-10(3)15(11(4)20-16)18(24)26-6-2/h7-9,20H,5-6H2,1-4H3,(H,21,22,23)