3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(3-methoxyphenyl)butanamide; ethanedioic acid

Systemtic Name: 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(3-methoxyphenyl)butanamide; ethanedioic acid Openeye Name: N-(3-methoxyphenyl)-3-(thiochroman-4-ylamino)butanamide; oxalic acid CAS Name: 3-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-N-(3-methoxyphenyl)butanamide; oxalic acid IUPAC Name: 3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(3-methoxyphenyl)butanamide; oxalic acid Traditional Name: N-(3-methoxyphenyl)-3-(thiochroman-4-ylamino)butyramide; oxalic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=CC=C1)OC)NC2CCSC3=CC=CC=C23.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CC(=O)NC1=CC(=CC=C1)OC)NC2CCSC3=CC=CC=C23.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O2S.C2H2O4/c1-14(12-20(23)22-15-6-5-7-16(13-15)24-2)21-18-10-11-25-19-9-4-3-8-17(18)19;3-1(4)2(5)6/h3-9,13-14,18,21H,10-12H2,1-2H3,(H,22,23);(H,3,4)(H,5,6)