ethyl (6R)-6-[4-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-6-[4-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-6-[4-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-[(3-chloro-2,2-dimethyl-1-oxopropyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NC(=O)C(C)(C)CCl)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=CC=C(C=C2)NC(=O)C(C)(C)CCl)C)C

InChI

InChI=1S/C20H26ClN3O3S/c1-6-27-17(25)15-12(2)24(5)19(28)23-16(15)13-7-9-14(10-8-13)22-18(26)20(3,4)11-21/h7-10,16H,6,11H2,1-5H3,(H,22,26)(H,23,28)/t16-/m1/s1