N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide CAS Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NOC(=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NOC(=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H21N3O4S/c1-11-6-7-14-17(8-11)29-21(18(14)19(22)25)23-20(26)15-10-16(28-24-15)12-4-3-5-13(9-12)27-2/h3-5,9-11H,6-8H2,1-2H3,(H2,22,25)(H,23,26)/t11-/m0/s1