methyl 3-[[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]carbothioylamino]-4-methyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioyl]amino]-4-methyl-thiophene-2-carboxylate CAS Name: 3-[[[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]-sulfanylidenemethyl]amino]-4-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioyl]amino]-4-methylthiophene-2-carboxylate Traditional Name: 3-[[2-[(3-ethynylphenoxy)methyl]morpholine-4-carbothioyl]amino]-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1NC(=S)N2CCOC(C2)COC3=CC=CC(=C3)C#C)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1NC(=S)N2CCOC(C2)COC3=CC=CC(=C3)C#C)C(=O)OC

InChI

InChI=1S/C21H22N2O4S2/c1-4-15-6-5-7-16(10-15)27-12-17-11-23(8-9-26-17)21(28)22-18-14(2)13-29-19(18)20(24)25-3/h1,5-7,10,13,17H,8-9,11-12H2,2-3H3,(H,22,28)