(2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CC(OC3=CC=CC=C32)C(=O)NC

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2C[C@H](OC3=CC=CC=C32)C(=O)NC

InChI

InChI=1S/C20H22N2O4S/c1-12-10-14(13(2)27-12)16(23)8-9-19(24)22-11-18(20(25)21-3)26-17-7-5-4-6-15(17)22/h4-7,10,18H,8-9,11H2,1-3H3,(H,21,25)/t18-/m0/s1