ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H19N3O3S/c1-4-24-17(23)13-9-11(2)21(12(13)3)10-16(22)20-18-19-14-7-5-6-8-15(14)25-18/h5-9H,4,10H2,1-3H3,(H,19,20,22)