N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=C(SC4=C3CCCC4)N5C=CC=C5

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=C(SC4=C3CCCC4)N5C=CC=C5

InChI

InChI=1S/C22H21N3O3S/c1-13-20(26)24-16-12-14(8-9-17(16)28-13)23-21(27)19-15-6-2-3-7-18(15)29-22(19)25-10-4-5-11-25/h4-5,8-13H,2-3,6-7H2,1H3,(H,23,27)(H,24,26)/t13-/m0/s1