N-[(2S)-4-methylsulfanyl-1-(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-oxidanylidene-butan-2-yl]ethanamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-oxidanylidene-butan-2-yl]ethanamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-[7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]propyl]acetamide CAS Name: N-[(2S)-4-(methylthio)-1-[7-methyl-2-(3-thiophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-oxobutan-2-yl]acetamide IUPAC Name: N-[(2S)-4-methylsulfanyl-1-(7-methyl-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-oxobutan-2-yl]acetamide Traditional Name: N-[(1S)-1-[7-methyl-2-(3-thienyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-3-(methylthio)propyl]acetamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(CN(C2)C(=O)C(CCSC)NC(=O)C)C3=CSC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)OC(CN(C2)C(=O)[C@H](CCSC)NC(=O)C)C3=CSC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-14-4-5-19-17(10-14)11-23(12-20(26-19)16-6-9-28-13-16)21(25)18(7-8-27-3)22-15(2)24/h4-6,9-10,13,18,20H,7-8,11-12H2,1-3H3,(H,22,24)/t18-,20?/m0/s1