ethyl 4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]carbonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]carbonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-(2,5-dimethyl-1-thiazol-2-yl-pyrrole-3-carbonyl)thiomorpholine-3-carboxylate CAS Name: 4-[[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-oxomethyl]-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]thiomorpholine-3-carboxylate Traditional Name: 4-(2,5-dimethyl-1-thiazol-2-yl-pyrrole-3-carbonyl)thiomorpholine-3-carboxylic acid ethyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1C(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C

Isomeric SMILES

CCOC(=O)C1CSCCN1C(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C

InChI

InChI=1S/C17H21N3O3S2/c1-4-23-16(22)14-10-24-8-6-19(14)15(21)13-9-11(2)20(12(13)3)17-18-5-7-25-17/h5,7,9,14H,4,6,8,10H2,1-3H3