methyl 2-[(2S)-2,8-di(propan-2-yl)-3-sulfanylidene-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-2,8-di(propan-2-yl)-3-sulfanylidene-1,4-benzoxazin-4-yl]ethanoate Openeye Name: methyl 2-[(2S)-2,8-diisopropyl-3-thioxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-2,8-di(propan-2-yl)-3-sulfanylidene-1,4-benzoxazin-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-2,8-di(propan-2-yl)-3-sulfanylidene-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-2,8-diisopropyl-3-thioxo-1,4-benzoxazin-4-yl]acetic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=S)N(C2=CC=CC(=C2O1)C(C)C)CC(=O)OC

Isomeric SMILES

CC(C)[C@H]1C(=S)N(C2=CC=CC(=C2O1)C(C)C)CC(=O)OC

InChI

InChI=1S/C17H23NO3S/c1-10(2)12-7-6-8-13-16(12)21-15(11(3)4)17(22)18(13)9-14(19)20-5/h6-8,10-11,15H,9H2,1-5H3/t15-/m0/s1