1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-3-(4-nitrophenyl)thiourea Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-3-25-17-9-13-8-12(2)26-18(13)10-14(17)11-20-19(27)21-15-4-6-16(7-5-15)22(23)24/h4-7,9-10,12H,3,8,11H2,1-2H3,(H2,20,21,27)/t12-/m0/s1