2-[4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl]-4,4-diphenyl-3,1-benzoxazine

Systemtic Name: 2-[4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl]-4,4-diphenyl-3,1-benzoxazine Openeye Name: 2-[4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl]-4,4-diphenyl-3,1-benzoxazine CAS Name: 2-[4-(methoxymethyl)-6-methyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-4,4-diphenyl-3,1-benzoxazine IUPAC Name: 2-[4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl]-4,4-diphenyl-3,1-benzoxazine Traditional Name: 2-[4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl]-4,4-diphenyl-3,1-benzoxazine Formula: C34H27N3O2S MolecularWeight: 541.66208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C1)COC)C(=C(S2)C3=NC4=CC=CC=C4C(O3)(C5=CC=CC=C5)C6=CC=CC=C6)N7C=CC=C7

Isomeric SMILES

CC1=NC2=C(C(=C1)COC)C(=C(S2)C3=NC4=CC=CC=C4C(O3)(C5=CC=CC=C5)C6=CC=CC=C6)N7C=CC=C7

InChI

InChI=1S/C34H27N3O2S/c1-23-21-24(22-38-2)29-30(37-19-11-12-20-37)31(40-33(29)35-23)32-36-28-18-10-9-17-27(28)34(39-32,25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-21H,22H2,1-2H3