4-methyl-6-methylsulfanyl-N-[[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide

Systemtic Name: 4-methyl-6-methylsulfanyl-N-[[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide Openeye Name: N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-4-methyl-6-methylsulfanyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide CAS Name: 4-methyl-6-(methylthio)-N-[[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide IUPAC Name: N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-4-methyl-6-methylsulfanyl-2,3-dihydro-1,4-benzoxazine-8-carboxamide Traditional Name: N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-4-methyl-6-(methylthio)-2,3-dihydro-1,4-benzoxazine-8-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C1C=C(C=C2C(=O)NCC3CCCN3CC4=CC=CC=C4)SC

Isomeric SMILES

CN1CCOC2=C1C=C(C=C2C(=O)NC[C@@H]3CCCN3CC4=CC=CC=C4)SC

InChI

InChI=1S/C23H29N3O2S/c1-25-11-12-28-22-20(13-19(29-2)14-21(22)25)23(27)24-15-18-9-6-10-26(18)16-17-7-4-3-5-8-17/h3-5,7-8,13-14,18H,6,9-12,15-16H2,1-2H3,(H,24,27)/t18-/m0/s1