methyl (4S)-2-azanyl-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-thiophen-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: methyl (4S)-2-azanyl-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-thiophen-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: methyl (4S)-2-amino-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-2-thienyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-4-[4-(1-benzimidazolylmethyl)-5-methyl-2-thiophenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-amino-4-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-2-thienyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid methyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2C3=C(CCCC3=O)OC(=C2C(=O)OC)N)CN4C=NC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=C(S1)[C@H]2C3=C(CCCC3=O)OC(=C2C(=O)OC)N)CN4C=NC5=CC=CC=C54

InChI

InChI=1S/C24H23N3O4S/c1-13-14(11-27-12-26-15-6-3-4-7-16(15)27)10-19(32-13)21-20-17(28)8-5-9-18(20)31-23(25)22(21)24(29)30-2/h3-4,6-7,10,12,21H,5,8-9,11,25H2,1-2H3/t21-/m0/s1