tert-butyl 2-azanyl-3-(3,4-dichlorophenyl)-2-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)propanoate

Systemtic Name: tert-butyl 2-azanyl-3-(3,4-dichlorophenyl)-2-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)propanoate Openeye Name: tert-butyl 2-amino-3-(3,4-dichlorophenyl)-2-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)propanoate CAS Name: 2-amino-3-(3,4-dichlorophenyl)-2-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-3-(3,4-dichlorophenyl)-2-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)propanoate Traditional Name: 2-amino-3-(3,4-dichlorophenyl)-2-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)propionic acid tert-butyl ester Formula: C22H24Cl2N2O3S MolecularWeight: 467.40856

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)NC2=C(O1)C=CC(=C2)C(CC3=CC(=C(C=C3)Cl)Cl)(C(=O)OC(C)(C)C)N

Isomeric SMILES

CC1C(=S)NC2=C(O1)C=CC(=C2)C(CC3=CC(=C(C=C3)Cl)Cl)(C(=O)OC(C)(C)C)N

InChI

InChI=1S/C22H24Cl2N2O3S/c1-12-19(30)26-17-10-14(6-8-18(17)28-12)22(25,20(27)29-21(2,3)4)11-13-5-7-15(23)16(24)9-13/h5-10,12H,11,25H2,1-4H3,(H,26,30)